# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-30T16:52:33+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Physics and Chemistry of Solids') AND volume = 47 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1527226","4.21","","11.4","","4.091","","90","","90","","90","","196.343","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","Sn S","","- S Sn -","- S Sn -","- S4 Sn4 -","4","0.5","","Chattopadhyay, Z.; Pannetier, J.; von Schnering, H.G.","Neutron diffraction study of the structural phase transition in Sn S and Sn Se","Journal of Physics and Chemistry of Solids","1986","47","","879","885","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537673","11.32","","4.05","","4.242","","90","","90","","90","","194.479","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Sn S","","- S Sn -","- S Sn -","- S4 Sn4 -","4","0.5","","Chattopadhyay, T.K.; Pannetier, J.; von Schnering, H.G.","Neutron diffraction study of the structural phase transition in Sn S and Sn Se","Journal of Physics and Chemistry of Solids","1986","47","","879","885","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537675","11.37","","4.186","","4.439","","90","","90","","90","","211.273","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Sn Se","","- Se Sn -","- Se Sn -","- Se4 Sn4 -","4","0.5","","Chattopadhyay, T.K.; Pannetier, J.; von Schnering, H.G.","Neutron diffraction study of the structural phase transition in Sn S and Sn Se","Journal of Physics and Chemistry of Solids","1986","47","","879","885","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539807","15.404","","9.103","","8.919","","90","","90","","123.53","","1042.53","","","","","","","","","","","","","4","B 1 1 b","B -2b","9","","Na3 Sc2 (P O4)3","","- Na3 O12 P3 Sc2 -","- Na3 O12 P3 Sc2 -","- Na12 O48 P12 Sc8 -","4","1","","Collin, G.; Comes, R.; Boilot, J.P.; Colomban, P.","Disorder of tetrahedra in Nasicon-type structure - part I. Na3 Sc2 (P O4)3: structures and ion-ion correlations","Journal of Physics and Chemistry of Solids","1986","47","","843","854","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1539810","8.927","","8.927","","22.276","","90","","90","","120","","1537.37","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Na3 Sc2 (P O4)3","","- Na3 O12 P3 Sc2 -","- Na2.999 O12 P3 Sc2 -","- Na17.994 O72 P18 Sc12 -","6","0.166667","","Collin, G.; Colomban, P.; Comes, R.; Boilot, J.P.","Disorder of tetrahedra in Nasicon-type structure - part I. Na3 Sc2 (P O4)3: structures and ion-ion correlations","Journal of Physics and Chemistry of Solids","1986","47","","843","854","","","","","","","","","","","","","","","","","","","","","","has coordinates","168860","2020-10-21","18:00:00",""
"1541050","6.9944","","6.8712","","5.0146","","90","","92.27","","90","","240.812","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Li Fe Cl (Mo O4)","","- Cl Fe Li Mo O4 -","- Cl Fe Li Mo O4 -","- Cl2 Fe2 Li2 Mo2 O8 -","2","0.5","","Torardi, C.C.; Reiff, W.M.; Lazar, K.; Prince, E.","Synthesis, structure and low temperature magnetism of the new lithium and sodium insertion compounds: Li Fe(II) Cl Mo O4 and Na Fe(II) Cl Mo O4","Journal of Physics and Chemistry of Solids","1986","47","","741","750","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1549090","4.734","","4.734","","10.51","","90","","90","","90","","235.537","","","","","","","","","","","","","3","I 41/a","I 4bw -1bw","88","ZrSiO4 scheelite structure","","reidite","- O4 Si Zr -","- O4 Si Zr -","- O16 Si4 Zr4 -","4","","","Kusaba, K.; Yagi, T.; Kikuchi, M.; Syono, Y.","Structural considerations on the mechanism of the shock-induced zircon-scheelite transition in ZrSiO4","Journal of Physics and Chemistry of Solids","1986","47","","675","679","","","","","","","","","","","","","","","","","","","","","","has coordinates","207030","2020-10-21","18:00:00",""
"9011970","5.328","","5.328","","5.328","","90","","90","","90","","151.249","","","","","","","","0","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K -","- K2 -","2","0.0208333","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 0 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011971","5.286","","5.286","","5.286","","90","","90","","90","","147.7","","","","","","","","260000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K -","- K2 -","2","0.0208333","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = .26 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011972","4.936","","4.936","","4.936","","90","","90","","90","","120.261","","","","","","","","1200000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K -","- K2 -","2","0.0208333","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 1.2 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011973","4.725","","4.725","","4.725","","90","","90","","90","","105.489","","","","","","","","2100000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K -","- K2 -","2","0.0208333","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 2.1 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011974","4.622","","4.622","","4.622","","90","","90","","90","","98.739","","","","","","","","3000000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K -","- K2 -","2","0.0208333","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc. at P = 3 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011975","4.511","","4.511","","4.511","","90","","90","","90","","91.795","","","","","","","","4000000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K -","- K2 -","2","0.0208333","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 4 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011976","4.476","","4.476","","4.476","","90","","90","","90","","89.675","","","","","","","","5300000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K -","- K2 -","2","0.0208333","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 5.3 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011977","4.313","","4.313","","4.313","","90","","90","","90","","80.23","","","","","","","","6700000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K -","- K2 -","2","0.0208333","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 6.7 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011978","4.305","","4.305","","4.305","","90","","90","","90","","79.785","","","","","","","","7000000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K -","- K2 -","2","0.0208333","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 7 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011979","4.224","","4.224","","4.224","","90","","90","","90","","75.365","","","","","","","","9200000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K -","- K2 -","2","0.0208333","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 9.2 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011980","4.185","","4.185","","4.185","","90","","90","","90","","73.297","","","","","","","","9900000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K -","- K2 -","2","0.0208333","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 9.9 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011981","4.182","","4.182","","4.182","","90","","90","","90","","73.14","","","","","","","","10000000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K -","- K2 -","2","0.0208333","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 10 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011982","4.147","","4.147","","4.147","","90","","90","","90","","71.318","","","","","","","","11300000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K -","- K2 -","2","0.0208333","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 11.3 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011983","4.13","","4.13","","4.13","","90","","90","","90","","70.445","","","","","","","","12000000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K -","- K2 -","2","0.0208333","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 12 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011984","5.159","","5.159","","5.159","","90","","90","","90","","137.308","","","","","","","","12000000","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Potassium","","Potassium","- K -","- K -","- K4 -","4","0.0208333","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: fcc at P = 12 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011985","5.148","","5.148","","5.148","","90","","90","","90","","136.432","","","","","","","","12400000","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Potassium","","Potassium","- K -","- K -","- K4 -","4","0.0208333","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: fcc at P = 12.4 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011986","5.104","","5.104","","5.104","","90","","90","","90","","132.963","","","","","","","","13800000","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Potassium","","Potassium","- K -","- K -","- K4 -","4","0.0208333","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: fcc at P = 13.8 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011987","5.048","","5.048","","5.048","","90","","90","","90","","128.635","","","","","","","","14300000","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Potassium","","Potassium","- K -","- K -","- K4 -","4","0.0208333","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: fcc at P = 14.3 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011988","5.025","","5.025","","5.025","","90","","90","","90","","126.884","","","","","","","","15000000","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Potassium","","Potassium","- K -","- K -","- K4 -","4","0.0208333","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: fcc at P = 15 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011989","4.963","","4.963","","4.963","","90","","90","","90","","122.245","","","","","","","","16500000","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Potassium","","Potassium","- K -","- K -","- K4 -","4","0.0208333","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: fcc at P = 16.5 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011990","4.973","","4.973","","4.973","","90","","90","","90","","122.986","","","","","","","","16800000","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Potassium","","Potassium","- K -","- K -","- K4 -","4","0.0208333","","Liu, L.","Compression and polymorphism of potassium to 400 Kbar Sample: fcc at P = 16.8 GPa","Journal of Physics and Chemistry of Solids","1986","47","","1067","1072","10.1016/0022-3697(86)90073-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""